CID 2327202

N-{(e)-1-[(cyclohexylamino)carbonyl]-2-[5-(3,4-dichlorophenyl)-2-furyl]ethenyl}-4-methylbenzamide

Structural Information

Molecular Formula
C27H26Cl2N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NC4CCCCC4
InChI
InChI=1S/C27H26Cl2N2O3/c1-17-7-9-18(10-8-17)26(32)31-24(27(33)30-20-5-3-2-4-6-20)16-21-12-14-25(34-21)19-11-13-22(28)23(29)15-19/h7-16,20H,2-6H2,1H3,(H,30,33)(H,31,32)/b24-16+
InChIKey
LUEBHUVSXSAFFB-LFVJCYFKSA-N
Compound name
N-[(E)-3-(cyclohexylamino)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.13205 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13933 220.7
[M+Na]+ 519.12127 233.2
[M+NH4]+ 514.16587 227.2
[M+K]+ 535.09521 226.2
[M-H]- 495.12477 229.3
[M+Na-2H]- 517.10672 227.6
[M]+ 496.13150 225.3
[M]- 496.13260 225.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.